4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine

C8H5BrF3N3 — CID 169196088

IUPAC4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine
SMILESNc1c(F)c(C(F)F)c(Br)c2cn[nH]c12
InChIInChI=1S/C8H5BrF3N3/c9-4-2-1-14-15-7(2)6(13)5(10)3(4)8(11)12/h1,8H,13H2,(H,14,15)
InChIKeyBJSYLGVFGOOGDA-UHFFFAOYSA-N
MW280.05 g/mol
LogP2.98
Rot. Bonds1

About 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine

4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine (PubChem CID 169196088) has the molecular formula C8H5BrF3N3 and a molecular weight of 280.05 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine
PubChem CID169196088
Molecular FormulaC8H5BrF3N3
Molecular Weight280.05 g/mol
Exact Mass278.96
IUPAC Name4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine
SMILESNc1c(F)c(C(F)F)c(Br)c2cn[nH]c12
InChIInChI=1S/C8H5BrF3N3/c9-4-2-1-14-15-7(2)6(13)5(10)3(4)8(11)12/h1,8H,13H2,(H,14,15)
InChIKeyBJSYLGVFGOOGDA-UHFFFAOYSA-N
XLogP2.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-1H-indazol-7-amine
CID 15896582
4-Bromo-5-methyl-1H-indazole
CID 44119450
4-Bromo-7-methyl-1H-indazole
CID 44119451
7-Bromo-5-(trifluoromethyl)-1H-indazole
CID 57546119
5-Bromo-7-(trifluoromethyl)-1H-indazole
CID 67491372
4-Bromo-7-(trifluoromethyl)-1H-indazole
CID 68666326
6-bromo-7-methyl-1H-indazole
CID 76846150
4-bromo-5-(2-fluorophenyl)-7-nitro-1H-indazole
CID 58834839
4-Bromo-7-fluoro-1H-indazole
CID 59177929
4-bromo-5-(2-fluorophenyl)-1H-indazol-7-amine
CID 59263744
4-Bromo-5-(trifluoromethyl)-1H-indazole
CID 74891936
4-bromo-5-(2-fluorophenyl)-7-nitroso-1H-indazole
CID 89079859

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine (CID 169196088) is 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine is Nc1c(F)c(C(F)F)c(Br)c2cn[nH]c12.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine?
The InChIKey is BJSYLGVFGOOGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3/c9-4-2-1-14-15-7(2)6(13)5(10)3(4)8(11)12/h1,8H,13H2,(H,14,15).
What are the key properties of 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine?
4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine has a molecular weight of 280.05 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-6-fluoro-1H-indazol-7-amine is sourced from PubChem (CID 169196088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).